2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile

C12H6ClIN2 — CID 129452420

IUPAC2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)ncc(I)c1-c1ccccc1
InChIInChI=1S/C12H6ClIN2/c13-12-9(6-15)11(10(14)7-16-12)8-4-2-1-3-5-8/h1-5,7H
InChIKeyXMIPSTIVORNANE-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.88
Rot. Bonds1

About 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile

2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile (PubChem CID 129452420) has the molecular formula C12H6ClIN2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile
PubChem CID129452420
Molecular FormulaC12H6ClIN2
Molecular Weight340.55 g/mol
Exact Mass339.93
IUPAC Name2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)ncc(I)c1-c1ccccc1
InChIInChI=1S/C12H6ClIN2/c13-12-9(6-15)11(10(14)7-16-12)8-4-2-1-3-5-8/h1-5,7H
InChIKeyXMIPSTIVORNANE-UHFFFAOYSA-N
XLogP3.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-iodo-2-methyl-3-phenylpyridine
CID 167116545
2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile
CID 94283510
3-chloro-5,6-bis(2-phenylphenyl)pyridazine-4-carbonitrile
CID 11517898
2-benzylsulfanyl-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 87084371
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 82114108
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
3-iodo-6-phenylbenzene-1,2-dicarbonitrile
CID 141320941
2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522065
2-chloro-4-iodopyridine-3-carbonitrile;2-chloro-4-methylsulfanylpyridine-3-carbonitrile
CID 157320229
3-chloroquinoline-4-carbonitrile
CID 119084140
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile (CID 129452420) is 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile is N#Cc1c(Cl)ncc(I)c1-c1ccccc1.
What is the InChIKey of 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile?
The InChIKey is XMIPSTIVORNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClIN2/c13-12-9(6-15)11(10(14)7-16-12)8-4-2-1-3-5-8/h1-5,7H.
What are the key properties of 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile?
2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile has a molecular weight of 340.55 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 129452420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).